SCHEMBL5032820

SCHEMBL5032820

CCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)C=CCO3)ccc2OC)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.40
PPARD Q03181 9/20 0.40
PPARG P37231 8/20 0.40
HPGD P15428 1/20 0.38
ESRRA P11474 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5031737 0.94 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5034466 0.94 HTT (0.43) PPARAPPARDPPARGHPGDALDH1A1
SCHEMBL5032738 0.91 PPARA (0.40) PPARAPPARDPPARGHPGDALDH1A1
SCHEMBL5031908 0.89 PPARA (0.41) PPARAPPARDPPARGHPGD
SCHEMBL5032979 0.88 PDE4A (0.42) PPARAPPARDPPARGHPGDALDH1A1
SCHEMBL5029970 0.86 PPARA (0.44) PPARAPPARDPPARGHPGDALDH1A1
SCHEMBL5032948 0.86 ALDH1A1 (0.43) PPARAPPARDPPARGHPGDNPC1
SCHEMBL5032817 0.84 PPARD (0.47) PPARAPPARDPPARGHPGDALDH1A1
SCHEMBL5029907 0.82 PPARA (0.40) PPARAPPARDPPARGHPGDESRRA
SCHEMBL5034494 0.80 ALDH1A1 (0.42) PPARAPPARDPPARGHPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed